N-[(1S,2S)-2-hydroxycyclohexyl]-5-[[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide

C26H35N3O4 — CID 162658825

About N-[(1S,2S)-2-hydroxycyclohexyl]-5-[[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-5-[[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 162658825) has the molecular formula C26H35N3O4 and a molecular weight of 453.58 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-5-[[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2S)-2-hydroxycyclohexyl]-5-[[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
• PubChem CID: 162658825
• Molecular Formula: C26H35N3O4
• Molecular Weight: 453.58 g/mol
• Exact Mass: 453.26
• IUPAC Name: N-[(1S,2S)-2-hydroxycyclohexyl]-5-[[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
• SMILES: CO[C@@H]1CCN(c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c(=O)n(C)c3C)cc2)C1
• InChI: InChI=1S/C26H35N3O4/c1-17-19(14-18-8-10-20(11-9-18)29-13-12-21(16-29)33-3)15-22(26(32)28(17)2)25(31)27-23-6-4-5-7-24(23)30/h8-11,15,21,23-24,30H,4-7,12-14,16H2,1-3H3,(H,27,31)/t21-,23+,24+/m1/s1
• InChIKey: QIKBSXNGZUTBFE-NHTMILBNSA-N
• XLogP: 2.54
• TPSA: 83.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.58
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-[[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-[[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide (CID 162658825) is N-[(1S,2S)-2-hydroxycyclohexyl]-5-[[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-5-[[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-5-[[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide is CO[C@@H]1CCN(c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c(=O)n(C)c3C)cc2)C1.

What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-5-[[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide?

The InChIKey is QIKBSXNGZUTBFE-NHTMILBNSA-N. The full InChI is InChI=1S/C26H35N3O4/c1-17-19(14-18-8-10-20(11-9-18)29-13-12-21(16-29)33-3)15-22(26(32)28(17)2)25(31)27-23-6-4-5-7-24(23)30/h8-11,15,21,23-24,30H,4-7,12-14,16H2,1-3H3,(H,27,31)/t21-,23+,24+/m1/s1.

What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-5-[[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide?

N-[(1S,2S)-2-hydroxycyclohexyl]-5-[[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 453.58 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2S)-2-hydroxycyclohexyl]-5-[[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 162658825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).